N-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Openeye Name: N-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide CAS Name: N-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumcarbothioamide IUPAC Name: N-(4-ethoxyphenyl)-4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-carbothioamide Traditional Name: 4-(2-fluorobenzyl)-N-p-phenetyl-piperazin-4-ium-1-carbothioamide Formula: C20H25FN3OS+ MolecularWeight: 374.495403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C20H24FN3OS/c1-2-25-18-9-7-17(8-10-18)22-20(26)24-13-11-23(12-14-24)15-16-5-3-4-6-19(16)21/h3-10H,2,11-15H2,1H3,(H,22,26)/p+1